UCSF

ZINC67630258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 22 Yes

Popular Name: N-[2-[[4-(ethylamino)-6-methyl-pyrimidin-2-yl]amino]ethyl]-4-methyl-thiadiazole-5-carboxamide N-[2-[[4-(ethylamino)-6-methyl-p…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 3.92 -37.32 4 8 1 106 322.418 7 ↓
Mid Mid (pH 6-8) 1.28 3.58 -10.86 3 8 0 105 321.41 7 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.